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89055-53-8 | Acetaldehyde, [(1-methoxy-3-oxobutyl)thio]-
CAS No: 89055-53-8 Catalog No: AG0041KP MDL No:
Product Description
Catalog Number:
AG0041KP
Chemical Name:
Acetaldehyde, [(1-methoxy-3-oxobutyl)thio]-
CAS Number:
89055-53-8
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
IUPAC Name:
2-(1-methoxy-3-oxobutyl)sulfanylacetaldehyde
InChI:
InChI=1S/C7H12O3S/c1-6(9)5-7(10-2)11-4-3-8/h3,7H,4-5H2,1-2H3
InChI Key:
MFSQKPCEORHZIM-UHFFFAOYSA-N
SMILES:
O=CCSC(CC(=O)C)OC
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.23g/mol
Monoisotopic Mass:
176.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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